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Home > Nitro Compounds > 88734-89-8
88734-89-8 | 4H-1-Benzothiopyran-4-one, 3-hydroxy-2-nitro-
CAS No: 88734-89-8 Catalog No: AG0044ZB MDL No:
Product Description
Catalog Number:
AG0044ZB
Chemical Name:
4H-1-Benzothiopyran-4-one, 3-hydroxy-2-nitro-
CAS Number:
88734-89-8
Molecular Formula:
C9H5NO4S
Molecular Weight:
223.2053
IUPAC Name:
3-hydroxy-2-nitrothiochromen-4-one
InChI:
InChI=1S/C9H5NO4S/c11-7-5-3-1-2-4-6(5)15-9(8(7)12)10(13)14/h1-4,12H
InChI Key:
CBIHMPQHOJGUKH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc2ccccc2c(=O)c1O
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.202g/mol
Monoisotopic Mass:
222.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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